methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate

C22H24N2O4S2 — CID 69172459

About methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate

methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 69172459) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate
• PubChem CID: 69172459
• Molecular Formula: C22H24N2O4S2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.12
• IUPAC Name: methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate
• SMILES: COC(=O)C1CSCN1CCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1
• InChI: InChI=1S/C22H24N2O4S2/c1-15-18(23-21(28-15)20-4-3-11-30-20)12-27-17-7-5-16(6-8-17)9-10-24-14-29-13-19(24)22(25)26-2/h3-8,11,19H,9-10,12-14H2,1-2H3
• InChIKey: HQHQJQUTWXRCPY-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 64.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate?

The IUPAC name of methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate (CID 69172459) is methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate.

What is the SMILES notation for methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate?

The canonical SMILES for methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1CCc1ccc(OCc2nc(-c3cccs3)oc2C)cc1.

What is the InChIKey of methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate?

The InChIKey is HQHQJQUTWXRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-15-18(23-21(28-15)20-4-3-11-30-20)12-27-17-7-5-16(6-8-17)9-10-24-14-29-13-19(24)22(25)26-2/h3-8,11,19H,9-10,12-14H2,1-2H3.

What are the key properties of methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate?

methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 69172459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).